N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

C19H26N2O4S — CID 31152189

IUPACN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(C)o2)c(C)c1
InChIInChI=1S/C19H26N2O4S/c1-13-10-14(2)19(15(3)11-13)26(23,24)20-9-8-18(22)21(5)12-17-7-6-16(4)25-17/h6-7,10-11,20H,8-9,12H2,1-5H3
InChIKeyPJYHYXAPXMNDMD-UHFFFAOYSA-N
MW378.49 g/mol
LogP2.84
Rot. Bonds7

About N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (PubChem CID 31152189) has the molecular formula C19H26N2O4S and a molecular weight of 378.49 g/mol. Its IUPAC name is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
PubChem CID31152189
Molecular FormulaC19H26N2O4S
Molecular Weight378.49 g/mol
Exact Mass378.16
IUPAC NameN-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
SMILESCc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(C)o2)c(C)c1
InChIInChI=1S/C19H26N2O4S/c1-13-10-14(2)19(15(3)11-13)26(23,24)20-9-8-18(22)21(5)12-17-7-6-16(4)25-17/h6-7,10-11,20H,8-9,12H2,1-5H3
InChIKeyPJYHYXAPXMNDMD-UHFFFAOYSA-N
XLogP2.84
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.49
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 4807517
3-[(3-chlorophenyl)sulfonylamino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 31152143
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852335
2-methyl-2-[methyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120518710
3-[ethyl-[3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoyl]amino]propanoic acid
CID 120516640
N-benzyl-N-methyl-2-[(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 112992433
3-(3,5-ditert-butyl-4-hydroxyphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 8852022
N-benzyl-N-cyclopropyl-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 38253005
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
7-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]heptanamide
CID 43514689
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 29304699

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide (CID 31152189) is N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is Cc1cc(C)c(S(=O)(=O)NCCC(=O)N(C)Cc2ccc(C)o2)c(C)c1.
What is the InChIKey of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
The InChIKey is PJYHYXAPXMNDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4S/c1-13-10-14(2)19(15(3)11-13)26(23,24)20-9-8-18(22)21(5)12-17-7-6-16(4)25-17/h6-7,10-11,20H,8-9,12H2,1-5H3.
What are the key properties of N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide?
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide has a molecular weight of 378.49 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 31152189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).